Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bu8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N GLY 1.A O no hydrogen 2.995 N/A ALA 8.A N ARG 4.A O no hydrogen 3.297 N/A VAL 9.A N LEU 5.A O no hydrogen 3.050 N/A ASN 10.A N GLU 6.A O no hydrogen 2.750 N/A ASN 10.A ND2 GLU 6.A OE2 no hydrogen 3.026 N/A ASN 10.A ND2 PRO 47.A O no hydrogen 2.922 N/A ARG 11.A N GLU 7.A O no hydrogen 3.229 N/A ARG 11.A NE LEU 48.A O no hydrogen 2.995 N/A TRP 12.A N ALA 8.A O no hydrogen 3.320 N/A VAL 13.A N VAL 9.A O no hydrogen 2.881 N/A LEU 14.A N ASN 10.A O no hydrogen 2.885 N/A LYS 15.A N ARG 11.A O no hydrogen 2.846 N/A LYS 15.A NZ GLU 51.A OE2 no hydrogen 2.878 N/A PHE 16.A N TRP 12.A O no hydrogen 2.861 N/A TYR 17.A N VAL 13.A O no hydrogen 3.060 N/A PHE 18.A N LEU 14.A O no hydrogen 3.026 N/A HIS 19.A N LYS 15.A O no hydrogen 3.147 N/A HIS 19.A ND1 GLU 20.A OE2 no hydrogen 3.230 N/A GLU 20.A N PHE 16.A O no hydrogen 3.106 N/A ALA 21.A N TYR 17.A O no hydrogen 2.719 N/A LEU 22.A N PHE 18.A O no hydrogen 2.977 N/A ARG 23.A N HIS 19.A O no hydrogen 3.143 N/A ARG 23.A NE GLU 20.A OE1 no hydrogen 3.185 N/A ARG 23.A NH2 GLU 20.A OE1 no hydrogen 2.863 N/A ALA 24.A N GLU 20.A O no hydrogen 3.068 N/A PHE 25.A N ALA 21.A O no hydrogen 2.888 N/A ARG 26.A N LEU 22.A O no hydrogen 2.696 N/A ARG 26.A NH2 GLU 183.A OE2 no hydrogen 2.285 N/A GLY 27.A N ALA 24.A O no hydrogen 3.010 N/A SER 28.A N PHE 25.A O no hydrogen 3.077 N/A SER 28.A OG GLU 172.A OE1 no hydrogen 2.704 N/A ARG 29.A N ALA 24.A O no hydrogen 2.802 N/A ARG 29.A NH1 ASP 32.A OD2 no hydrogen 2.918 N/A TYR 30.A OH GLU 172.A OE1 no hydrogen 3.244 N/A TYR 30.A OH GLU 172.A OE2 no hydrogen 2.658 N/A PHE 33.A N ARG 29.A O no hydrogen 3.018 N/A ARG 34.A N TYR 30.A O no hydrogen 3.004 N/A ARG 34.A NH1 GLU 68.A OE2 no hydrogen 3.334 N/A GLN 35.A N GLY 31.A O no hydrogen 3.156 N/A ILE 36.A N ASP 32.A O no hydrogen 2.943 N/A ARG 37.A N PHE 33.A O no hydrogen 2.694 N/A ARG 37.A NE ASP 38.A OD1 no hydrogen 3.071 N/A ARG 37.A NH1 GLU 69.A OE2 no hydrogen 2.953 N/A ARG 37.A NH2 ASP 38.A OD1 no hydrogen 2.956 N/A ASP 38.A N ARG 34.A O no hydrogen 2.980 N/A ILE 39.A N GLN 35.A O no hydrogen 3.363 N/A ILE 39.A N ILE 36.A O no hydrogen 2.985 N/A MET 40.A N ILE 36.A O no hydrogen 3.167 N/A GLN 41.A N ARG 37.A O no hydrogen 2.981 N/A GLN 41.A NE2 GLN 41.A O no hydrogen 3.230 N/A ALA 42.A N ASP 38.A O no hydrogen 3.133 N/A LEU 43.A N ILE 39.A O no hydrogen 3.110 N/A LEU 44.A N MET 40.A O no hydrogen 3.175 N/A ARG 46.A N LEU 43.A O no hydrogen 2.883 N/A ARG 46.A NH1 GLU 6.A OE2 no hydrogen 3.265 N/A VAL 54.A N GLU 51.A O no hydrogen 2.866 N/A SER 55.A N GLU 51.A O no hydrogen 3.257 N/A ARG 56.A N HIS 52.A O no hydrogen 3.225 N/A ARG 56.A NH1 HIS 185.A O no hydrogen 2.949 N/A ARG 56.A NH2 HIS 185.A O no hydrogen 3.250 N/A LEU 57.A N THR 53.A O no hydrogen 3.159 N/A LEU 58.A N VAL 54.A O no hydrogen 3.008 N/A ARG 59.A N ARG 56.A O no hydrogen 3.094 N/A ARG 59.A NE GLU 99.A OE1 no hydrogen 3.341 N/A ARG 59.A NE GLU 99.A OE2 no hydrogen 2.921 N/A ARG 59.A NH1 GLN 62.A OE1 no hydrogen 2.715 N/A ARG 59.A NH2 GLU 99.A OE1 no hydrogen 2.890 N/A VAL 60.A N ARG 56.A O no hydrogen 3.076 N/A MET 61.A N LEU 57.A O no hydrogen 2.815 N/A GLN 62.A N LEU 58.A O no hydrogen 2.826 N/A CYS 63.A N ARG 59.A O no hydrogen 2.876 N/A CYS 63.A SG ALA 89.A O no hydrogen 3.951 N/A LEU 64.A N VAL 60.A O no hydrogen 2.849 N/A SER 65.A N MET 61.A O no hydrogen 2.995 N/A SER 65.A OG MET 61.A O no hydrogen 2.733 N/A ARG 66.A N GLN 62.A O no hydrogen 3.281 N/A ARG 66.A NE SER 88.A OG no hydrogen 2.637 N/A ARG 66.A NH1 GLN 62.A O no hydrogen 3.135 N/A ILE 67.A N CYS 63.A O no hydrogen 3.017 N/A GLU 68.A N LEU 64.A O no hydrogen 2.756 N/A GLU 69.A N SER 65.A O no hydrogen 3.220 N/A GLU 69.A N ARG 66.A O no hydrogen 3.250 N/A GLY 70.A N ILE 67.A O no hydrogen 3.003 N/A ASN 72.A N GLU 69.A O no hydrogen 2.992 N/A ASN 72.A ND2 GLU 69.A OE1 no hydrogen 2.609 N/A CYS 75.A N ASN 72.A O no hydrogen 2.985 N/A CYS 75.A SG GLU 69.A OE1 no hydrogen 3.187 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.661 N/A LEU 83.A N GLU 80.A O no hydrogen 3.238 N/A THR 84.A N GLU 87.A OE1 no hydrogen 2.920 N/A THR 84.A OG1 GLU 87.A OE1 no hydrogen 2.735 N/A SER 88.A N THR 84.A O no hydrogen 2.971 N/A SER 88.A OG ASP 78.A OD2 no hydrogen 2.773 N/A ALA 89.A N PRO 85.A O no hydrogen 2.849 N/A ILE 90.A N LEU 86.A O no hydrogen 3.009 N/A ASN 91.A N GLU 87.A O no hydrogen 3.297 N/A VAL 92.A N SER 88.A O no hydrogen 3.030 N/A LEU 93.A N ALA 89.A O no hydrogen 2.910 N/A GLU 94.A N ILE 90.A O no hydrogen 3.066 N/A MET 95.A N ASN 91.A O no hydrogen 3.000 N/A ILE 96.A N VAL 92.A O no hydrogen 2.886 N/A LYS 97.A N LEU 93.A O no hydrogen 2.940 N/A LYS 97.A NZ GLU 104.A OE2 no hydrogen 2.896 N/A THR 98.A N GLU 94.A O no hydrogen 3.067 N/A THR 98.A OG1 GLU 94.A O no hydrogen 3.193 N/A GLU 99.A N MET 95.A O no hydrogen 2.812 N/A PHE 100.A N ILE 96.A O no hydrogen 2.745 N/A THR 101.A N THR 98.A O no hydrogen 3.218 N/A THR 101.A OG1 PHE 100.A O no hydrogen 2.617 N/A THR 101.A OG1 THR 101.A O no hydrogen 2.472 N/A LEU 102.A N LYS 97.A O no hydrogen 2.880 N/A VAL 106.A N THR 103.A O no hydrogen 3.062 N/A VAL 106.A N THR 103.A OG1 no hydrogen 3.392 N/A VAL 107.A N THR 103.A O no hydrogen 3.288 N/A GLU 108.A N GLU 104.A O no hydrogen 2.746 N/A ARG 111.A N VAL 107.A O no hydrogen 3.079 N/A ARG 111.A NH2 GLU 104.A OE1 no hydrogen 2.398 N/A ARG 111.A NH2 GLU 104.A OE2 no hydrogen 2.563 N/A LYS 112.A N GLU 108.A O no hydrogen 3.071 N/A LEU 113.A N SER 109.A O no hydrogen 3.181 N/A VAL 114.A N SER 110.A O no hydrogen 3.208 N/A LYS 115.A N ARG 111.A O no hydrogen 2.993 N/A LYS 115.A NZ HIS 138.A O no hydrogen 2.819 N/A GLU 116.A N LYS 112.A O no hydrogen 2.993 N/A ALA 117.A N LEU 113.A O no hydrogen 2.937 N/A ALA 118.A N VAL 114.A O no hydrogen 2.844 N/A VAL 119.A N LYS 115.A O no hydrogen 3.142 N/A ILE 120.A N GLU 116.A O no hydrogen 2.981 N/A ILE 121.A N ALA 117.A O no hydrogen 2.812 N/A CYS 122.A N ALA 118.A O no hydrogen 3.360 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.604 N/A CYS 122.A SG GLU 127.A OE1 no hydrogen 3.861 N/A ILE 123.A N VAL 119.A O no hydrogen 2.866 N/A LYS 124.A N ILE 120.A O no hydrogen 2.838 N/A ASN 125.A N ILE 121.A O no hydrogen 3.107 N/A ASN 125.A N CYS 122.A O no hydrogen 3.226 N/A ASN 125.A ND2 ILE 121.A O no hydrogen 2.799 N/A LYS 126.A N ILE 123.A O no hydrogen 2.922 N/A GLU 127.A N CYS 122.A O no hydrogen 2.885 N/A LYS 130.A NZ GLU 82.A O no hydrogen 3.195 N/A ALA 131.A N GLU 127.A O no hydrogen 2.916 N/A SER 132.A N PHE 128.A O no hydrogen 2.947 N/A LYS 133.A N GLU 129.A O no hydrogen 2.945 N/A ILE 134.A N LYS 130.A O no hydrogen 2.907 N/A LEU 135.A N ALA 131.A O no hydrogen 2.893 N/A LYS 136.A N SER 132.A O no hydrogen 2.879 N/A LYS 137.A N LYS 133.A O no hydrogen 2.874 N/A HIS 138.A N ILE 134.A O no hydrogen 2.781 N/A MET 139.A N LEU 135.A O no hydrogen 2.854 N/A SER 140.A OG LYS 136.A O no hydrogen 2.875 N/A THR 144.A N ASP 142.A OD2 no hydrogen 2.892 N/A THR 145.A N ASP 142.A O no hydrogen 3.129 N/A GLN 146.A NE2 PRO 143.A O no hydrogen 2.858 N/A ARG 149.A N THR 145.A O no hydrogen 3.446 N/A ASN 150.A N GLN 146.A O no hydrogen 3.141 N/A LEU 152.A N LEU 148.A O no hydrogen 2.860 N/A LEU 153.A N ARG 149.A O no hydrogen 2.848 N/A ASN 154.A N ASN 150.A O no hydrogen 3.164 N/A ILE 155.A N ASP 151.A O no hydrogen 2.976 N/A ILE 156.A N LEU 152.A O no hydrogen 2.821 N/A ARG 157.A N LEU 153.A O no hydrogen 2.794 N/A GLU 158.A N ASN 154.A O no hydrogen 2.901 N/A LYS 159.A N ILE 156.A O no hydrogen 3.267 N/A ASN 160.A N ILE 155.A O no hydrogen 2.955 N/A LEU 161.A N LYS 159.A O no hydrogen 3.060 N/A HIS 163.A N ASN 160.A O no hydrogen 3.069 N/A VAL 165.A N HIS 163.A ND1 no hydrogen 2.954 N/A ILE 166.A N HIS 163.A O no hydrogen 2.895 N/A GLN 167.A N HIS 163.A O no hydrogen 2.955 N/A ASN 168.A N PRO 164.A O no hydrogen 2.987 N/A ASN 168.A ND2 PRO 164.A O no hydrogen 2.906 N/A PHE 169.A N ILE 166.A O no hydrogen 3.309 N/A SER 170.A OG THR 173.A OG1 no hydrogen 2.860 N/A TYR 171.A OH ILE 67.A O no hydrogen 2.605 N/A THR 173.A N SER 170.A OG no hydrogen 3.080 N/A THR 173.A OG1 SER 170.A OG no hydrogen 2.860 N/A PHE 174.A N SER 170.A O no hydrogen 3.233 N/A GLN 175.A N TYR 171.A O no hydrogen 2.914 N/A GLN 176.A N GLU 172.A O no hydrogen 3.000 N/A GLN 176.A NE2 PHE 25.A O no hydrogen 2.980 N/A GLN 176.A NE2 TYR 30.A OH no hydrogen 3.127 N/A GLN 176.A NE2 GLU 172.A OE1 no hydrogen 3.394 N/A LYS 177.A N THR 173.A O no hydrogen 2.944 N/A MET 178.A N PHE 174.A O no hydrogen 2.941 N/A LEU 179.A N GLN 175.A O no hydrogen 2.965 N/A ARG 180.A N GLN 176.A O no hydrogen 3.161 N/A PHE 181.A N LYS 177.A O no hydrogen 3.196 N/A LEU 182.A N MET 178.A O no hydrogen 2.998 N/A GLU 183.A N LEU 179.A O no hydrogen 2.724 N/A SER 184.A N ARG 180.A O no hydrogen 3.185 N/A SER 184.A N PHE 181.A O no hydrogen 3.114 N/A SER 184.A OG PHE 181.A O no hydrogen 2.627 N/A HIS 185.A N LEU 182.A O no hydrogen 3.162 N/A LEU 186.A N GLU 183.A O no hydrogen 2.890 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 3.028 N/A LEU 194.A N PRO 191.A O no hydrogen 3.121 N/A THR 195.A N PRO 191.A O no hydrogen 3.247 N/A THR 195.A OG1 GLU 190.A OE1 no hydrogen 2.431 N/A THR 195.A OG1 PRO 191.A O no hydrogen 3.501 N/A MET 196.A N TYR 192.A O no hydrogen 3.091 N/A ALA 197.A N LEU 193.A O no hydrogen 3.085 N/A LYS 198.A N LEU 194.A O no hydrogen 2.978 N/A LYS 198.A NZ GLU 190.A OE2 no hydrogen 2.658 N/A LYS 199.A N THR 195.A O no hydrogen 3.121 N/A ALA 200.A N MET 196.A O no hydrogen 2.913 N/A LEU 201.A N ALA 197.A O no hydrogen 3.048 N/A LEU 201.A N LYS 198.A O no hydrogen 3.146 N/A LYS 202.A N LYS 199.A O no hydrogen 2.434 N/A